C14 H28 N2 O7
7P8
(1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{...Show more
Formula
Standard InChI
InChI=1S/C14H28N2O7/c1-5-4-6(17)9(18)14(22-5)23-13-11(20)7(15-2)10(19)8(16-3)12(13)21/h5-21H,4H2,1-3H3/t5-,6+,7-,8+,9-,1...Show more
Standard InChI Key
CXLUHLODGLESQP-SLGICJDNSA-N
SMILES
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2[C@@H]([C@H](C([C@H]([C@@...Show more
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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